- InChI
- InChI=1S/C19H19IO4/c1-2-3-11-23-18(21)16-9-4-5-10-17(16)19(22)24-13-14-7-6-8-15(20)12-14/h4-10,12H,2-3,11,13H2,1H3
- InChI Key
- XYBMUFRHCBHSGY-UHFFFAOYSA-N
- Formula
- C19H19IO4
- SMILES
-
CCCCOC(=O)c1ccccc1C(=O)OCc1ccc
c(I)c1 - Molecular Weight1
- 438.26
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -95.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -398.10 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.45 | kJ/mol | Joback Calculated Property |
| log10WS | -6.47 | Crippen Calculated Property | |
| logPoct/wat | 4.605 | Crippen Calculated Property | |
| McVol | 271.750 | ml/mol | McGowan Calculated Property |
| Pc | 1826.28 | kPa | Joback Calculated Property |
| Inp | [2805.00; 2805.00] |
|
|
| Inp | 2805.00 | NIST | |
| Inp | 2805.00 | NIST | |
| Tboil | 943.16 | K | Joback Calculated Property |
| Tc | 1189.04 | K | Joback Calculated Property |
| Tfus | 584.15 | K | Joback Calculated Property |
| Vc | 1.020 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [765.00; 815.99] | J/mol×K | [943.16; 1189.04] |
|
| Cp,gas | 765.00 | J/mol×K | 943.16 | Joback Calculated Property |
| Cp,gas | 776.52 | J/mol×K | 984.14 | Joback Calculated Property |
| Cp,gas | 786.76 | J/mol×K | 1025.12 | Joback Calculated Property |
| Cp,gas | 795.78 | J/mol×K | 1066.10 | Joback Calculated Property |
| Cp,gas | 803.62 | J/mol×K | 1107.08 | Joback Calculated Property |
| Cp,gas | 810.34 | J/mol×K | 1148.06 | Joback Calculated Property |
| Cp,gas | 815.99 | J/mol×K | 1189.04 | Joback Calculated Property |
| η | [0.0000476; 0.0003723] | Pa×s | [584.15; 943.16] |
|
| η | 0.0003723 | Pa×s | 584.15 | Joback Calculated Property |
| η | 0.0002254 | Pa×s | 643.99 | Joback Calculated Property |
| η | 0.0001486 | Pa×s | 703.82 | Joback Calculated Property |
| η | 0.0001046 | Pa×s | 763.65 | Joback Calculated Property |
| η | 0.0000774 | Pa×s | 823.49 | Joback Calculated Property |
| η | 0.0000597 | Pa×s | 883.33 | Joback Calculated Property |
| η | 0.0000476 | Pa×s | 943.16 | Joback Calculated Property |
Similar Compounds
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Sources
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